5-Amino-1-chloroisoquinoline

HCID 459771CAS 374554-54-8

기본 정보

표준 SMILES: Nc1cccc2c(Cl)nccc12
InChIKey: DDELEGMETMZLAF-UHFFFAOYSA-N
분자식: C9H7ClN2
평균 분자량: 178.62 g/mol
단동위원소 질량: 178.0297759

이름 및 식별자

우선 이름: 5-Amino-1-chloroisoquinoline
IUPAC: 1-chloroisoquinolin-5-amine
영어명: 5-Amino-1-chloroisoquinoline
분자식: C9H7ClN2
분자량: 178.62

이름 및 동의어

5-Amino-1-chloroisoquinoline374554-54-8DTXSID20332698RefChem:300895DTXCID60283791689-871-11-chloroisoquinolin-5-amineMFCD092586401-chloro-5-isoquinolinamine1-chloro-5-isoquinolylamine1-chloro-5-aminoisoquinolineSCHEMBL2380637

이름 더 보기

5-amine-1-chloroisoquinolin5-Isoquinolinamine, 1-chloro-5-Amino-1-chloroisoquinoline98%5-Amino-1-chloroisoquinoline 98%5-Isoquinolinamine,1-chloro-(9CI)1-Chloroisoquinolin-5-amine - [C8929]5-Amino-1-chloroisoquinoline ISO 9001：2015 REACH

SCHEMBL31339851DDELEGMETMZLAF-UHFFFAOYSA-NCS1338SBB070230AKOS005257226AB92175PS-5639AC-31857

데이터베이스 식별자

CAS: 374554-54-8
PubChem CID: 459771
DTXSID: DTXSID20332698
EC Number: 689-871-1
Nikkaji: J3.787.585F

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

저장 조건: 2 · 2-8°C(protect from light)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.